1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propan-2-yl 2-methylprop-2-enoate

C11H13FN2O4 — CID 170127369

IUPAC1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H13FN2O4/c1-6(2)10(16)18-7(3)4-14-5-8(12)9(15)13-11(14)17/h5,7H,1,4H2,2-3H3,(H,13,15,17)
InChIKeyZRVSCDJZEGRXNP-UHFFFAOYSA-N
MW256.23 g/mol
LogP0.18
Rot. Bonds4

About 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propan-2-yl 2-methylprop-2-enoate

1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propan-2-yl 2-methylprop-2-enoate (PubChem CID 170127369) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propan-2-yl 2-methylprop-2-enoate
PubChem CID170127369
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H13FN2O4/c1-6(2)10(16)18-7(3)4-14-5-8(12)9(15)13-11(14)17/h5,7H,1,4H2,2-3H3,(H,13,15,17)
InChIKeyZRVSCDJZEGRXNP-UHFFFAOYSA-N
XLogP0.18
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 565853
1-(2-Methacryloyloxy)ethylcarbamoyl-5-fluorouracil
CID 135563881
Allyl (5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetate
CID 376609
ethyl (Z)-2-fluoro-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enoate
CID 10083718
ethyl (E)-2-fluoro-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enoate
CID 10083719
[2-Acetyloxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-methoxypropyl] acetate
CID 12802670
(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate
CID 14477737
2-(5-Fluoro-2,4-dioxopyrimidin-1-yl)ethyl prop-2-enoate
CID 19968774
Prop-2-enyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 67126682
2-[(5-fluoro-2,4-dioxo-1H-pyrimidine-3-carbonyl)amino]ethyl 2-methylprop-2-enoate
CID 70012666
Ethyl 2-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]acetate
CID 169084304
2-(5-Fluoro-2,4-dioxopyrimidin-1-yl)ethyl propanoate
CID 175177629

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propan-2-yl 2-methylprop-2-enoate (CID 170127369) is 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is ZRVSCDJZEGRXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c1-6(2)10(16)18-7(3)4-14-5-8(12)9(15)13-11(14)17/h5,7H,1,4H2,2-3H3,(H,13,15,17).
What are the key properties of 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propan-2-yl 2-methylprop-2-enoate?
1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 256.23 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,4-dioxopyrimidin-1-yl)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 170127369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).